3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenylsulfanylethanoylamino)pentanamide

Systemtic Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenylsulfanylethanoylamino)pentanamide Openeye Name: 3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylsulfanylacetyl)amino]pentanamide CAS Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[[1-oxo-2-(phenylthio)ethyl]amino]pentanamide IUPAC Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylsulfanylacetyl)amino]pentanamide Traditional Name: 3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-2-[[2-(phenylthio)acetyl]amino]valeramide Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S2/c1-4-16(3)20(24-19(28)14-30-18-11-6-5-7-12-18)21(29)25-23-27-26-22(31-23)17-10-8-9-15(2)13-17/h5-13,16,20H,4,14H2,1-3H3,(H,24,28)(H,25,27,29)